(Z)-N-morpholin-4-yl-1-(5-nitrothiophen-3-yl)methanimine
Formula:C9H11N3O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-N-morpholin-4-yl-1-(5-nitrothiophen-3-yl)methanimine is a drug-like molecule.
| MolName | (Z)-N-morpholin-4-yl-1-(5-nitrothiophen-3-yl)methanimine |
| MolecularFormula | C9H11N3O3S |
| Smiles | [O-][N+](c1cc(/C=N\N2CCOCC2)cs1)=O |
| InChI | InChI=1S/C9H11N3O3S/c13-12(14)9-5-8(7-16-9)6-10-11-1-3-15-4-2-11/h5-7H,1-4H2 |
| InChIK | RWAPRFBATOYPBH-UHFFFAOYSA-N |
| TotalMolweight | 241.27 |
| Molweight | 241.27 |
| MonoisotopicMass | 241.052112 |
| CLogP | 0.5439 |
| CLogS | -2.341 |
| H Acceptors | 6 |
| TotalSurfaceArea | 179.47 |
| Relative PSA | 0.42258 |
| PolarSurfaceArea | 98.89 |
| Druglikeness | -1.7487 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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